Nuclear Quadrupole Interaction at W(/T)Re in längsten Compounds*

نویسندگان

  • Pit Schmidt
  • Torsten Soldner
  • Wolfgang Tröger
  • Xinbo Ni
  • Tilman Butz
  • Peter Blaha
چکیده

The nuclear quadrupole interaction at l 8 7 W(/T) l 8 7 Re was determined by time differential perturbed angular correlation inWC, WS 2 , WSe2 , WSi2 , and C a W 0 4 to be (at 300 K): vQ = 335.9(2), 1094.9(1), 1031.6( 1), 1131,5( 1), and 1085.9( 1) MHz, respectively. The asymmetry parameter 77 was zero in all cases. For WSe 2 and C a W 0 4 the temperature dependence of the nculear quadrupole interaction was determined between 300 K and about 900 K. Ab initio calculations of electric field gradients, using the WIEN95-code, were carried out for WC, WS2 , WSe2 , and WSi2 at W-sites and Re-impurities, and for C a W 0 4 at W-sites. Good agreement with experimental data was found.

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تاریخ انتشار 2012